Abstract
In its orthorhombic T _{d} polymorph, MoTe_{2} is a typeII Weyl semimetal, where the Weyl fermions emerge at the boundary between electron and hole pockets. Nonsaturating magnetoresistance and superconductivity were also observed in T _{d}MoTe_{2}. Understanding the superconductivity in T _{d}MoTe_{2}, which was proposed to be topologically nontrivial, is of eminent interest. Here, we report highpressure muonspin rotation experiments probing the temperaturedependent magnetic penetration depth in T _{d}MoTe_{2}. A substantial increase of the superfluid density and a linear scaling with the superconducting critical temperature T _{c} is observed under pressure. Moreover, the superconducting order parameter in T _{d}MoTe_{2} is determined to have 2gap swave symmetry. We also exclude timereversal symmetry breaking in the superconducting state with zerofield μSR experiments. Considering the strong suppression of T _{c} in MoTe_{2} by disorder, we suggest that topologically nontrivial s ^{+−} state is more likely to be realized in MoTe_{2} than the topologically trivial s ^{++} state.
Introduction
An interesting physical properties of twodimensional materials such as transition metal dichalcogenides (TMDs) with a common formula, MX_{2} (M is a transition metal, X is a chalcogen atom), are useful for many emerging technological applications^{1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19}. Depending on the crystal structure, TMDs can be either semiconducting or semimetallic^{20,21,22,23}. The title compound MoTe_{2} undergoes a structural phase transition from monoclinic 1T′ to orthorhombic T _{d} at T _{S} ~ 250 K^{15}. The 1T′ structure possesses the inversion symmetric space group P2_{1}/m, whereas the T _{d} phase belongs to the noncentrosymmetric space group Pmn2_{1}. Weyl fermions occur in the T _{d} phase where the inversion symmetry is broken and T _{d}MoTe_{2} is considered to be typeII Weyl semimetal^{1, 2}. The evidence for the low temperature T _{d} structure in our MoTe_{2} sample is provided by Xray pair distribution function (PDF) measurements (Supplementary Note 1; Supplementary Figs. 3 and 4). The Fermi surfaces in a typeII Weyl semimetal consist of a pair of electron pockets and hole pockets touching at the Weyl node, rather than at the pointlike Fermi surface in traditional typeI WSM systems. Well fermions can arise by breaking either the spaceinversion (SIS) or timereversal symmetry (TRS)^{24,25,26}. The different symmetry classifications of the Weyl semimetals are expected to exhibit distinct topological properties. Recent angleresolved photoemission (ARPES) measurements^{27} and a highfield quantum oscillation study^{28} of the magnetoresistance (MR) in T _{d}MoTe_{2} revealed a distinctive features of surface states. In addition, in Mo_{ x }W_{1−x }Te_{2}, experimental signatures of the predicted topological connection between the Weyl bulk states and Fermi arc surface states were also reported^{29}, constituting another unique property of Weyl semimetals.
T _{d}MoTe_{2} represents a rare example of a material with both superconductivity and a topologically nontrivial band structure. At ambient pressure, T _{d}MoTe_{2} is superconducting with T _{c} ≃ 0.1 K, but the application of a small pressure^{15} or the substitution of S for Te^{30} can markedly enhance T _{c}. T _{d}MoTe_{2} is believed to be a promising candidate for topological superconductivity (TSC) in a bulk material. TSCs are materials with unique electronic states consisting of a full pairing gap in the bulk and gapless surface states composed of Majorana fermions (MFs)^{24,25,26}. In general, topological superfluidity and superconductivity are wellestablished phenomena in condensed matter systems. The Aphase of superfluid helium3 constitutes an example of a charge neutral topological superfluid, whereas Sr_{2}RuO_{4} ^{31} is generally believed to be topological TRSbreaking superconductor. However, an example of a TRS invariant topological superconductor^{24, 25} is thus far unprecedented, and T _{d}MoTe_{2} may be a candidate material for this category. Until now, the only known properties of the superconducting state in T _{d}MoTe_{2} are the pressuredependent critical temperatures and fields^{15}. Thus, a thorough exploration of superconductivity in T _{d}MoTe_{2} from both experimental and theoretical perspectives is required.
To further explore superconductivity and its possible topological nature in T _{d}MoTe_{2}, it is critical to measure the superconducting order parameter of T _{d}MoTe_{2} on the microscopic level through measurements of the bulk properties. Thus, we concentrate on high pressure^{32,33,34,35} muonspin relaxation/rotation (μSR) measurements of the magnetic penetration depth λ in T _{d}MoTe_{2}. This quantity is one of the fundamental parameters of a superconductor, as it is related to the superfluid density n _{s} via 1/λ ^{2} = μ _{0} e ^{2} n _{s}/m* (where m* is the effective mass). Remarkably, the temperature dependence of λ is particularly sensitive to the topology of the SC gap: whereas in a nodeless superconductor, Δλ ^{−2}(T) ≡ λ ^{−2}(0) − λ ^{−2}(T) vanishes exponentially at low T, in a nodal SC it vanishes as a power of T. The μSR technique provides a powerful tool to measure λ in the vortex state of typeII superconductors in the bulk of the sample, in contrast to many techniques that probe λ only near the surface^{36}. Details are provided in the “Methods” section. In addition, zerofield μSR has the ability to detect internal magnetic fields as small as 0.1 G without applying external magnetic fields, making it a highly valuable tool for probing spontaneous magnetic fields due to TRS breaking in exotic superconductors.
By combining highpressure μSR and ACsusceptibility experiments, we observed a substantial increase of the superfluid density n _{s}/m* and a linear scaling with T _{c} under pressure. Moreover, the superconducting order parameter in T _{d}MoTe_{2} is determined to have 2gap swave symmetry. We also excluded timereversal symmetry breaking in the highpressure SC state, classifying MoTe_{2} as timereversalinvariant superconductor with broken inversion symmetry. Taking into account the previous report on the strong suppression of T _{c} in MoTe_{2} by disorder, we suggest that topologically nontrivial s ^{+−} state is more likely to be realized in MoTe_{2} than the topologically trivial s ^{++} state. Should s ^{+−} indeed be the SC gap symmetry, the T _{d}MoTe_{2} is, to our knowledge, the first known example of a timereversalinvariant topological (Weyl) superconductor.
Results
Probing the vortex state as a function of pressure
Figure 1a shows the temperature dependence of the ACsusceptibility χ _{AC} of T _{d}MoTe_{2} in the temperature range between 1.4 and 4.2 K for selected hydrostatic pressures up to p = 1.9 GPa. A strong diamagnetic response and sharp SC transition are observed under pressure (Fig. 1), pointing to the high quality of the sample and providing evidence for bulk superconductivity in MoTe_{2} ^{15}. The pressure dependence of T _{c} is shown in Fig. 1b. T _{c} increases with increasing pressure and reaches a critical temperature T _{c} ≃ 4 K at p = 1.9 GPa, the maximum applied pressure in the susceptibility experiments. The substantial increase of T _{c} from T _{c} ≃ 0.1 K at ambient pressure to T _{c} ≃ 4 K at moderate pressures in MoTe_{2} was considered as a manifestation of its topologically nontrivial electronic structure. Note that a strong pressureinduced enhancement of T _{c} has also been observed in topological superconductors such as Bi_{2}Te_{3} ^{37} and Bi_{2}Se_{3} ^{38}. The temperature of the structural phase transition from monoclinic 1T′ to orthorhombic T _{d} ^{15} as a function of pressure is also shown in Fig. 1b. In the temperature and pressure range (p = 0–1.9 GPa) investigated here, MoTe_{2} is in the orthorhombic T _{d} structure. Moreover, density functional theory (DFT) calculations confirmed that in the pressure range investigated in this work, MoTe_{2} is a Weyl semimetal in which the band structure near the Fermi level is highly sensitive to changes in the lattice constants^{15}.
Figure 2a and b displays the transversefield (TF) μSRtime spectra for MoTe_{2} measured at p = 0.45 GPa and the maximum applied pressure p = 1.3 GPa, respectively, in an applied magnetic field of μ _{0} H = 20 mT. Spectra collected above the SC transition temperature (2 K, 3.5 K) and below it (0.25 K) are shown. The presence of the randomly oriented nuclear moments causes a weak relaxation of the μSR signal above T _{c}. The relaxation rate is strongly enhanced below T _{c}, which is caused by the formation of a fluxline lattice (FLL) in the SC state, giving rise to an inhomogeneous magnetic field distribution. Another reason for an enhancement of the relaxation rate could be magnetism, if present in the samples. However, precise zerofield (ZF)μSR experiments does not show any indication of magnetism in T _{d}MoTe_{2} down to 0.25 K. This can be seen in ZF time spectra, shown in Fig. 2c, which can be well described only by considering the field distribution created by the nuclear moments^{39}. Moreover, no change in ZFμSR relaxation rate (see the inset of Fig. 2c) across T _{c} was observed, pointing to the absence of any spontaneous magnetic fields associated with a TRS^{31, 40, 41} breaking pairing state in MoTe_{2}.
Figure 3 displays the temperature dependence of the muonspin depolarization rate σ _{sc} (measured in an applied magnetic field of μ _{0} H = 20 mT) in the SC state of MoTe_{2} at selected pressures. This relaxation rate is proportional to the width of the nonuniform field distribution (see “Methods” section). The formation of the vortex lattice below T _{c} causes an increase of the relaxation rate σ _{sc}. As the pressure is increased, both the lowtemperature value of σ _{sc}(0.25 K) and the transition temperature T _{c} show a substantial increase (Fig. 3). σ _{sc}(0.25 K) increases by a factor of ~2 from p = 0 GPa to p = 1.3 GPa. In the following, we show that the observed temperature dependence of σ _{sc}, which reflects the topology of the SC gap, is consistent with the presence of the two isotropic swave gaps on the Fermi surface of MoTe_{2}.
Pressuredependent magnetic penetration depth
To explore the symmetry of the SC gap, it is important to note that λ(T) is related to σ _{sc}(T) as follows^{42}:
where Φ_{0} is the magneticflux quantum and γ _{μ} denotes the gyromagnetic ratio of the muon. Thus, the flat Tdependence of σ _{sc} at low temperature observed at various pressures (Fig. 3) implies an isotropic superconducting gap. In this case, \(\lambda _{{\rm{eff}}}^{  2}\left( T \right)\) exponentially approaches its zerotemperature value. We note that it is the effective penetration depth λ _{eff} (powder average), which we extract from the μSR depolarization rate (Eq. (1)), and this is the one shown in the figures. In polycrystalline samples of highly anisotropic systems λ _{eff} is dominated by the shorter penetration depth λ _{ab} and λ _{eff} = 1.3λ _{ab} as previously shown^{43, 44}.
The temperature dependence of the penetration depth is quantitatively described within the London approximation (λ ≫ ξ, where ξ is the coherence length) and by using the the empirical αmodel. This model^{45,46,47,48,49} assumes, besides common T _{c}, that the gaps in different bands are independent of each other. The superfluid densities, calculated for each component independently^{49}, (see details in the “Methods” section) are added together with a weighting factor:
where λ _{eff}(0) is the effective penetration depth at zero temperature, Δ_{0,i } is the value of the ith SC gap (i = 1, 2) at T = 0 K, α and (1−α) are the weighting factors, which measure their relative contributions to λ ^{−2}.
The results of this analysis are presented in Fig. 4a–f, where the temperature dependence of \(\lambda _{{\rm{eff}}}^{  2}\) for MoTe_{2} is plotted at various pressures. We consider two different possibilities for the gap function: either a constant gap, Δ_{0,i } = Δ_{ i }, or an angledependent gap of the form Δ_{0,i } = Δ_{ i } cos2φ, where φ is the polar angle around the Fermi surface. The dashed and the solid lines represent fits to the data using a 1gap swave and a 2gap swave model, respectively. The analysis appears to rule out the simple 1gap swave model as an adequate description of \(\lambda _{{\rm{eff}}}^{  2}\)(T) for MoTe_{2}. The 2gap swave scenario with a small gap Δ_{1} ≃ 0.12(3) meV and a large gap Δ_{2} (with the pressureindependent weighting factor of 1−α = 0.87), describes the experimental data remarkably well. The possibility of a nodal gap was also tested, shown with a black dotted line in Fig. 4a, but was found to be inconsistent with the data. This conclusion is supported by a χ ^{2} test, revealing a value of χ ^{2} for the nodal gap model that is ~30% higher than the one for 2gap swave model for p = 0.45 GPa. The ratios of the SC gap to T _{c} at p = 0.45 GPa were estimated to be 2Δ_{1}/k _{B} T _{c} = 1.5(4) and 2Δ_{2}/k _{B} T _{c} = 4.6(5) for the small and the large gaps, respectively. The ratio for the higher gap is consistent with the strong coupling limit BCS expectation^{50}. However, a similar ratio can also be expected for Bose Einstein condensation (BEC)like picture as pointed out in ref. ^{51}. It is important to note that the ratio 2Δ/k _{B} T _{c} does not effectively distinguish between BCS or BEC. This is particularly true in two band systems, where the ratio is not universal even in the BCS limit, as it depends also on the density of states of the two bands. The pressure dependence of various physical parameters are plotted in Fig. 5a and b. From Fig. 5a, a substantial decrease of λ _{eff}(0) (increase of σ _{sc}) with pressure is evident. At the highest applied pressure of p = 1.3 GPa, the reduction of λ _{eff}(0) is ~25% compared with the value at p = 0.45 GPa. The small gap Δ_{1} ≃ 0.12(3) meV stays nearly unchanged by pressure, whereas the large gap Δ_{2} increases from Δ_{2} ≃ 0.29(1) meV at p = 0.45 GPa to Δ_{2} ≃ 0.49(1) meV at p = 1.3 GPa, i.e., by ~70%.
In general, the penetration depth λ is given as a function of n _{s}, m*, ξ, and the mean free path l as
For systems close to the clean limit, ξ/l → 0, the second term essentially becomes unity, and the simple relation 1/λ ∝ n _{s}/m* holds. Considering the H _{c2} values of MoTe_{2} reported in ref. ^{15}, we estimated ξ ≃ 26 and 14 nm for p = 0.45 and 1 GPa, respectively. At ambient pressure, the inplane mean free path l was estimated to be l ≃ 100–200 nm^{28}. No estimates are currently available for l under pressure. However, inplane l is most probably independent of pressure, considering the fact that the effect of compression is mostly between layers rather than within layers, thanks to the unique anisotropy of the van der Waals structure. In particular, the intralayer Mo–Te bond length is almost unchanged by pressure, especially in the pressure region relevant to this study. Thus, in view of the short coherence length and relatively large l, we can assume that MoTe_{2} lies close to the clean limit^{52}. With this assumption, we obtain the groundstate value n _{s}/(m*/m _{e}) ≃ 0.9 × 10^{26} m^{−3}, 1.36 × 10^{26} m^{−3}, and 1.67 × 10^{26} m^{−3} for p = 0.45, 1, and 1.3 GPa respectively. Interestingly, n _{s}/(m*/m _{e}) increases substantially under pressure, which will be discussed below.
Discussion
One of the essential findings of this paper is the observation of twogap superconductivity in T _{d}MoTe_{2}. Recent ARPES^{27} experiments on MoTe_{2} revealed the presence of three bulk hole pockets (a circular hole pocket around the Brillouin zone center and two butterflylike hole pockets) and two bulk electron pockets, which are symmetrically distributed along the ΓX direction with respect to the Brillouin zone center Γ. As several bands cross the Fermi surface in MoTe_{2}, twogap superconductivity can be understood by assuming that the SC gaps open at two distinct types of bands. Now the interesting question arises: How consistent is the observed twogap superconductivity with the possible topological nature of superconductivity in T _{d}MoTe_{2}? Note that the superconductor T _{d}MoTe_{2} represents a timereversalinvariant Weyl semimetal, which has broken inversion symmetry. Recently, the detailed studies of microscopic interactions and the SC gap symmetry for timereversalinvariant TSC in Weyl semimetals were performed^{24}. Namely, it was shown that for TSC the gaps can be momentum independent on each FS but must change the sign between different FSs. μSR experiments alone cannot distinguish between singchanging s ^{+−} (topological) and s ^{++} (trivial) pairing states. However, considering the recent experimental observations of the strong suppression of T _{c} in MoTe_{2} by disorder^{11, 53} and the theoretical proposal that TSC is more sensitive to disorder than the ordinary swave superconductivity^{24, 54}, we suggest that s ^{+−} state is more likely to be realized than the trivial s ^{++} state. Further phase sensitive experiments are desirable to distinguish between s ^{+−} and s ^{++} states in MoTe_{2}.
Besides the twogap superconductivity, another interesting observation is the strong enhancement of the superfluid density \(\lambda _{{\rm{eff}}}^{  2}(0)\) ∝ n _{s}/(m*/m _{e}) and its linear scaling with T _{c} (Fig. 5c). Between p = 0.45 and 1.3 GPa, n _{s}/(m*/m _{e}) increases by factor of ~1.8. We also compared the band structures for ambient as well as for the hydrostatic pressure of 1.3 GPa by means of DFT calculations. The results are shown in Fig. 6. When the pressure is applied, there are appreciable differences of the bands near the Fermi level, especially near Y − Z, T − Z, and Γ − X. Near Γ, the hole band is shifted by +0.8–0.9 eV, whereas the electron band at Y and T are lowered by 20–40 meV.
The nearly linear relationship between T _{c} and the superfluid density was first noticed in holedoped cuprates in 1988–1989^{55, 56}, and its possible relevance to the crossover from BEC to BCS condensation has been discussed in several subsequent papers^{57,58,59}. The linear relationship was noticed mainly in systems lying along the line for which the ratio of T _{c} to the effective Fermi temperature T _{F} is about T _{c}/T _{F} ~ 0.05, implying a reduction of T _{c} by a factor of 4–5 from the ideal Bose condensation temperature for a noninteracting Bose gas composed of the same number of Fermions pairing without changing their effective masses. The present results on MoTe_{2} and NbSe_{2} ^{60} in Fig. 5c demonstrate that a linear relation holds for these systems, but with the ratio T _{c}/T _{F} being reduced by a factor of 16–20. It was also noticed^{61} that electrondoped cuprates follow another line with their T _{c}/T _{F} reduced by a factor of ~4 from the line of holedoped cuprates. As the present system MoTe_{2} and NbSe_{2} fall into the clean limit, the linear relation is unrelated to pair breaking, and can be expected to hold between T _{c} and n _{s}/m*.
In a naive picture of BEC to BCS crossover, systems with small T _{c}/T _{F} (large T _{F}) are considered to be on the “BCS” side, whereas the linear relationship between T _{c} and T _{F} is expected only on the BEC side. Figure 5c indicates that the BEClike linear relationship may exist in systems with T _{c}/T _{F} reduced by a factor 4 to 20 from the ratio in holedoped cuprates, presenting a new challenge for theoretical explanations.
In conclusion, we provide the first microscopic investigation of the superconductivity in T _{d}MoTe_{2}. Specifically, the zerotemperature magnetic penetration depth λ _{eff}(0) and the temperature dependence of \(\lambda _{{\rm{eff}}}^{  2}\) were studied in the typeII Weyl semimetal T _{d}MoTe_{2} by means of μSR experiments as a function of pressure up to p ≃ 1.3 GPa. Remarkably, the temperature dependence of \(1{\rm{/}}\lambda _{{\rm{eff}}}^2\left( T \right)\) is inconsistent with a simple isotropic swave pairing symmetry and with presence of nodes in the gap. However, it is well described by a 2gap swave scenario, indicating multigap superconductivity in MoTe_{2}. We also excluded timereversal symmetry breaking in the highpressure SC state with sensitive zerofield μSR experiments, classifying MoTe_{2} as timereversalinvariant superconductor with broken inversion symmetry. In this type of superconductor, a 2gap swave model is consistent with a topologically nontrivial superconducting state if the gaps Δ_{1} and Δ_{2} existing on different Fermi surfaces have opposite signs. μSR experiments alone cannot distinguish between sign changing s ^{+−} (topological) and s ^{++} (trivial) pairing states. However, considering the previous report on the strong suppression of T _{c} in MoTe_{2} by disorder, we suggest that s ^{+−} state is more likely to be realized in MoTe_{2} than the s ^{++} state. Should s ^{+−} be the SC gap symmetry, the highpressure state of MoTe_{2} is, to our knowledge, the first known example of a Weyl superconductor, as well as the first example of a timereversal invariant topological (Weyl) superconductor. Finally, we observed a linear correlation between T _{ c } and the zerotemperature superfluid density \(\lambda _{{\rm{eff}}}^{  2}(0)\) in MoTe_{2}, which together with the observed twogap behavior, points to the unconventional nature of superconductivity in T _{d}MoTe_{2}. We hope the present results will stimulate theoretical investigations to obtain a microscopic understanding of the relation between superconductivity and the topologically nontrivial electronic structure of T _{d}MoTe_{2}.
Methods
Sample preparation
High quality single crystals and polycrystalline samples were obtained by mixing of molybdenum foil (99.95%) and tellurium lumps (99.999+%) in a ratio of 1:20 in a quartz tube and sealed under vacuum. The reagents were heated to 1000 °C within 10 h. They dwelled at this temperature for 24 h, before they were cooled to 900 °C within 30 h (polycrystalline sample) or 100 h (single crystals). At 900 °C the tellurium flux was spinedoff and the samples were quenched in air. The obtained MoTe_{2} samples were annealed at 400 °C for 12 h to remove any residual tellurium.
Pressure cell
Single wall CuBe pistoncylinder type of pressure cell is used together with Daphne oil to generate hydrostatic pressures for μSR experiments^{32, 33}. Pressure dependence of the SC critical temperature of tiny indium piece is used to measure the pressure. The fraction of the muons stopping in the sample was estimated to be ~40%.
μSR experiment
Nearly perfectly spinpolarized, positively charged muons μ ^{+} are implanted into the specimen, where they behave as very sensitive microscopic magnetic probes. Muonspin experiences the Larmor precession either in the local field or in an applied magnetic field. Fundamental parameters such as the magnetic penetration depth λ and the coherence length ξ can be measured in the bulk of a superconductor by means of transversefield μSR technique, in which the magnetic field is applied perpendicular to the initial muonspin polarization. If a typeII superconductor is cooled below T _{c} in an applied magnetic field ranged between the lower (H _{c1}) and the upper (H _{c2}) critical fields, a fluxline lattice is formed and muons will randomly probe the nonuniform field distribution of the vortex lattice.
Combination of highpressure μSR instrument GPD (μE1 beamline), the lowbackground instrument GPS (πM3 beamline) and the lowtemperature instrument LTF (πM3.3) of the Paul Scherrer Institute (Villigen, Switzerland) is used to study the single crystalline as well as the polycrystalline samples of MoTe_{2}.
Analysis of TFμSR data
The following function is used to analyze the TF μSR data^{45}:
Here A _{s} and A _{pc} denote the initial assymmetries of the sample and the pressure cell, respectively. \(\gamma {\rm{/}}(2\pi ) \simeq 135.5\) MHz/T is the gyromagnetic ratio of muon and φ denotes the initial phase of the muonspin ensemble. B _{int} represents the internal magnetic field, sensed by the muons. σ _{nm} is the relaxation rate, caused by the nuclear magnetic moments. The value of σ _{nm} was obtained above T _{c} and was kept constant over the entire temperature range. The relaxation rate σ _{sc} describes the damping of the μSR signal due to the formation of the vortex lattice in the SC state. σ _{pc} describes the depolarization due to the nuclear moments of the pressure cell. σ _{pc} exhibits the temperature dependence below T _{c} due to the influence of the diamagnetic moment of the SC sample on the pressure cell^{34}. The linear coupling between σ _{pc} and the field shift of the internal magnetic field in the SC state was assumed to consider the temperaturedependent σ _{pc} below T _{c}: σ _{pc}(T) = σ _{pc}(T > T _{c}) + C(T)(μ _{0} H _{int,NS} − μ _{0} H _{int,SC}), where σ _{pc}(T > T _{c}) = 0.25 μs^{−1} is the temperatureindependent Gaussian relaxation rate. μ _{0} H _{int,NS} and μ _{0} H _{int,SC} are the internal magnetic fields measured in the normal and in the SC state, respectively. As demonstrated by the solid lines in Fig. 2b and c, the μSR data are well described by Eq. (1).
Analysis of λ(T)
λ _{eff}(T) was calculated by considering the London approximation (λ ≫ ξ) using the following function^{45, 46}:
where f = [1 + exp(E/k _{B} T)]^{−1} represents the Fermi function, φ is the angle along the Fermi surface, and Δ_{ i }(T, φ) = Δ_{0,i }Γ(T/T _{c})g(φ) (Δ_{0,i } is the maximum gap value at T = 0). The temperature evolution of the gap is given by the expression Γ(T/T _{c}) = tanh{1.82[1.018(T _{c}/T − 1)]^{0.51}}^{47}, whereas g(φ) takes care of the angular dependence of the superconducting gap. Namely, g(φ) = 1 in the case of both a 1gap swave and a 2gap swave, and cos(2φ) for a nodal gap.
DFT calculations of the electronic band structure
We used van der Waals density (vdW) functional and the projectoraugmented wave (PAW) method^{62}, as implemented in the VASP code^{63}. We adopted the generalized gradient approximation (GGA) proposed by Perdew et al. (PBE)^{64} and DFTD2 vdW functional proposed by Grimme et al.^{65} as a nonlocal correlation. Spin–orbit coupling (SOC) is included in all cases. A plane wave basis with a kinetic energy cutoff of 500 eV was employed. We used a Γcentered kpoint mesh of 15 × 9 × 5. Optimized lattice parameters of T _{d} phase are a = 3.507, b = 6.371, and c = 13.743 Å, close to the previous experimental values; (a, b, c) = (3.468, 6.310, 13.861)^{8} and (3.458, 6.304, 13.859)^{3}.
Data availability
All relevant data are available from the authors. The data can also be found at the following link http://musruser.psi.ch/cgibin/SearchDB.cgi using the details: GPD, Year: 2016, Run Title: MoTe_{2}.
Change history
10 January 2018
The original version of this article omitted the following from the Acknowledgements: “CAM and AL were supported by the NSF MRSEC program through Columbia in the Center for Precision Assembly of Superstratic and Superatomic Solids (DMR1420634). Additionally, this research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under ‘Contract No. DEAC0205CH11231’.” This has now been corrected in both the PDF and HTML versions of the article.
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Acknowledgements
The μSR experiments were carried out at the Swiss Muon Source (SμS) Paul Scherrer Insitute, Villigen, Switzerland. Xray PDF measurements were conducted on beamline 28ID2 of the National Synchrotron Light Source II, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DESC0012704. Z.G. gratefully acknowledges the financial support by the Swiss National Science Foundation (Early Postdoc Mobility SNFfellowship P2ZHP2161980). The material preparation at Princeton was supported by the Gordon and Betty Moore Foundation EPiQS initiative, Grant GBMF4412. Z.G. and Y.J.U. thank Andrew Millis and Rafael Fernandes for useful discussions. Work at Department of Physics of Columbia University is supported by US NSF DMR1436095 (DMREF) and NSF DMR1610633 as well as REIMEI project of Japan Atomic Energy Agency. A.N.P. acknowledges support from the US National Science foundation via grant DMR1610110. Work in the Billinge group was supported by U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (DOEBES) under contract No. DESC00112704. S.B. acknowledges support from the National Defense Science and Engineering Graduate Fellowship program. A.S. acknowledges support from the SCOPES Grant No. SCOPES IZ74Z0160484. B.A.F. achknowledges support from DOEBES Materials Sciences and Engineering Division under Contract No. DEAC0205CH11231 and Grant No. DEAC0376SF008. CAM and AL were supported by the NSF MRSEC program through Columbia in the Center for Precision Assembly of Superstratic and Superatomic Solids (DMR1420634). Additionally, this research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DEAC0205CH11231.
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Project planning: Z.G.; Sample growth: F.v.R. and R.J.C.; μSR experiments: Z.G.; Z.S.; R.K.; A.A.; H.L.; C.B.; E.M.; A.S.; G.T.; B.F., Z.G. and Y.J.U.; μSR data analysis: Z.G.; data interpretation: Z.G., A.R.W., A.N.P. and Y.J.U.; Xray pair distribution function measurements and analysis: S.B., Z.G. and S.Bi.; DFT calculations: A.T.L. and C.A.M.; Draft writing: Z.G. with contributions and/or comments from all authors.
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Guguchia, Z., von Rohr, F., Shermadini, Z. et al. Signatures of the topological s ^{+−} superconducting order parameter in the typeII Weyl semimetal T _{d}MoTe_{2} . Nat Commun 8, 1082 (2017). https://doi.org/10.1038/s41467017010666
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